Geometry & MOs

Info

ID:

181090

PubChem CID:

76715602

Reduced:

S2F3N5O7C46H52 (1)

Stoich.:

A2B3C5D7E46F52 (1)

Weight, g/mol:

620.211171

ΔHf, kcal/mol:

-312.89

Dipole, Da:

5.78

IP(EA), eV:

 -8.65(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-14-[(3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(C=C2OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)CC6=CC(=C(C(=C6)F)F)F)C(=O)NS(=O)(=O)C7(CC7)C)C8=NC(=CS8)C(C)C)OC

DOS

IR

Vibrations